CID 24838599

Brn 5665818

Structural Information

Molecular Formula
C31H46N2O4
SMILES
CCCCCCOC1=CC=C(C=C1)/C(=N\O)/CCCCC/C(=N/O)/C2=CC=C(C=C2)OCCCCCC
InChI
InChI=1S/C31H46N2O4/c1-3-5-7-12-24-36-28-20-16-26(17-21-28)30(32-34)14-10-9-11-15-31(33-35)27-18-22-29(23-19-27)37-25-13-8-6-4-2/h16-23,34-35H,3-15,24-25H2,1-2H3/b32-30-,33-31-
InChIKey
FGPLZFKYAPGZHY-UOALMSBLSA-N
Compound name
(NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.34576 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.35304 234.0
[M+Na]+ 533.33498 232.5
[M-H]- 509.33848 237.5
[M+NH4]+ 528.37958 239.0
[M+K]+ 549.30892 227.4
[M+H-H2O]+ 493.34302 222.1
[M+HCOO]- 555.34396 253.5
[M+CH3COO]- 569.35961 251.5
[M+Na-2H]- 531.32043 230.2
[M]+ 510.34521 240.9
[M]- 510.34631 240.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.